4-(1,2-dihydropyridin-2-yl)heptan-4-ol

C12H21NO — CID 90321130

IUPAC4-(1,2-dihydropyridin-2-yl)heptan-4-ol
SMILESCCCC(O)(CCC)C1C=CC=CN1
InChIInChI=1S/C12H21NO/c1-3-8-12(14,9-4-2)11-7-5-6-10-13-11/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3
InChIKeyKUFZMIIDTGLZHU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.36
Rot. Bonds5

About 4-(1,2-dihydropyridin-2-yl)heptan-4-ol

4-(1,2-dihydropyridin-2-yl)heptan-4-ol (PubChem CID 90321130) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(1,2-dihydropyridin-2-yl)heptan-4-ol.

Molecular Properties

Compound Name4-(1,2-dihydropyridin-2-yl)heptan-4-ol
PubChem CID90321130
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(1,2-dihydropyridin-2-yl)heptan-4-ol
SMILESCCCC(O)(CCC)C1C=CC=CN1
InChIInChI=1S/C12H21NO/c1-3-8-12(14,9-4-2)11-7-5-6-10-13-11/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3
InChIKeyKUFZMIIDTGLZHU-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyridin-2-yl)heptan-4-ol?
The IUPAC name of 4-(1,2-dihydropyridin-2-yl)heptan-4-ol (CID 90321130) is 4-(1,2-dihydropyridin-2-yl)heptan-4-ol.
What is the SMILES notation for 4-(1,2-dihydropyridin-2-yl)heptan-4-ol?
The canonical SMILES for 4-(1,2-dihydropyridin-2-yl)heptan-4-ol is CCCC(O)(CCC)C1C=CC=CN1.
What is the InChIKey of 4-(1,2-dihydropyridin-2-yl)heptan-4-ol?
The InChIKey is KUFZMIIDTGLZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-8-12(14,9-4-2)11-7-5-6-10-13-11/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3.
What are the key properties of 4-(1,2-dihydropyridin-2-yl)heptan-4-ol?
4-(1,2-dihydropyridin-2-yl)heptan-4-ol has a molecular weight of 195.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyridin-2-yl)heptan-4-ol is sourced from PubChem (CID 90321130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).